SCHEMBL12089972

SCHEMBL12089972

CC(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.83
TSHR P16473 1/20 0.71
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CD274 Q9NZQ7 2/20 0.63
HTR1A P08908 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
KCNH2 Q12809 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL178529 0.92 CD274 (0.74) LMNAALDH1A1KDM4ECD274HTR1A
SCHEMBL12089888 0.88 LMNA (0.90) LMNATSHRALDH1A1SMN1; SMN2CYP2D6
SCHEMBL26814932 0.87 LMNA (0.87) LMNAALDH1A1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL12074931 0.87 LMNA (0.92) LMNATSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL12459935 0.86 CD274 (0.79) LMNATSHRALDH1A1KDM4ESMN1; SMN2
Eprobemide SCHEMBL570896 0.86 ALDH1A1 (0.85) TSHRALDH1A1KDM4ESMN1; SMN2CD274
SCHEMBL763452 0.86 HTT (0.78) LMNATSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8252365 0.85 TSHR (0.68) LMNATSHRALDH1A1KDM4ESMN1; SMN2
Eprobemide SCHEMBL10495496 0.85 ALDH1A1 (0.82) TSHRALDH1A1KDM4ESMN1; SMN2CD274
SCHEMBL12090046 0.84 LMNA (0.58) LMNATSHRALDH1A1CD274HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A LMNA 4118/4885TSHR 2647/4885ALDH1A1 983/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 LMNA 4670/4885TSHR 463/4885ALDH1A1 2328/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885TSHR 466/4885ALDH1A1 2375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.